2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol

C11H8F3NOS — CID 67402697

IUPAC2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol
SMILESOC(c1cnc(-c2ccccc2)s1)C(F)(F)F
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)9(16)8-6-15-10(17-8)7-4-2-1-3-5-7/h1-6,9,16H
InChIKeyHCEHAGLFIJKHQP-UHFFFAOYSA-N
MW259.25 g/mol
LogP3.41
Rot. Bonds2

About 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol

2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol (PubChem CID 67402697) has the molecular formula C11H8F3NOS and a molecular weight of 259.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol
PubChem CID67402697
Molecular FormulaC11H8F3NOS
Molecular Weight259.25 g/mol
Exact Mass259.03
IUPAC Name2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol
SMILESOC(c1cnc(-c2ccccc2)s1)C(F)(F)F
InChIInChI=1S/C11H8F3NOS/c12-11(13,14)9(16)8-6-15-10(17-8)7-4-2-1-3-5-7/h1-6,9,16H
InChIKeyHCEHAGLFIJKHQP-UHFFFAOYSA-N
XLogP3.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol (CID 67402697) is 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol is OC(c1cnc(-c2ccccc2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is HCEHAGLFIJKHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NOS/c12-11(13,14)9(16)8-6-15-10(17-8)7-4-2-1-3-5-7/h1-6,9,16H.
What are the key properties of 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol?
2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 259.25 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-phenyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 67402697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).